1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

C23H25N3O — CID 12505324

IUPAC1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESOC(c1ccccc1)C(c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H25N3O/c27-23(20-11-5-2-6-12-20)22(19-9-3-1-4-10-19)26-17-15-25(16-18-26)21-13-7-8-14-24-21/h1-14,22-23,27H,15-18H2
InChIKeyPPOROOFLUNLTLP-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.68
Rot. Bonds5

About 1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol

1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (PubChem CID 12505324) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
PubChem CID12505324
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
SMILESOC(c1ccccc1)C(c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H25N3O/c27-23(20-11-5-2-6-12-20)22(19-9-3-1-4-10-19)26-17-15-25(16-18-26)21-13-7-8-14-24-21/h1-14,22-23,27H,15-18H2
InChIKeyPPOROOFLUNLTLP-UHFFFAOYSA-N
XLogP3.68
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol (CID 12505324) is 1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is OC(c1ccccc1)C(c1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is PPOROOFLUNLTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(20-11-5-2-6-12-20)22(19-9-3-1-4-10-19)26-17-15-25(16-18-26)21-13-7-8-14-24-21/h1-14,22-23,27H,15-18H2.
What are the key properties of 1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol?
1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 359.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 12505324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).